N'-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-N-[2-(diethylamino)ethyl]oxamide

C17H29N5O2S — CID 7685489

IUPACN'-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-N-[2-(diethylamino)ethyl]oxamide
SMILESCCN(CC)CCNC(=O)C(=O)Nc1c2c(nn1C(C)(C)C)CSC2
InChIInChI=1S/C17H29N5O2S/c1-6-21(7-2)9-8-18-15(23)16(24)19-14-12-10-25-11-13(12)20-22(14)17(3,4)5/h6-11H2,1-5H3,(H,18,23)(H,19,24)
InChIKeyREFWCRRIMPYFBA-UHFFFAOYSA-N
MW367.52 g/mol
LogP1.78
Rot. Bonds6

About N'-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-N-[2-(diethylamino)ethyl]oxamide

N'-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-N-[2-(diethylamino)ethyl]oxamide (PubChem CID 7685489) has the molecular formula C17H29N5O2S and a molecular weight of 367.52 g/mol. Its IUPAC name is N'-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-N-[2-(diethylamino)ethyl]oxamide.

Molecular Properties

Compound NameN'-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-N-[2-(diethylamino)ethyl]oxamide
PubChem CID7685489
Molecular FormulaC17H29N5O2S
Molecular Weight367.52 g/mol
Exact Mass367.20
IUPAC NameN'-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-N-[2-(diethylamino)ethyl]oxamide
SMILESCCN(CC)CCNC(=O)C(=O)Nc1c2c(nn1C(C)(C)C)CSC2
InChIInChI=1S/C17H29N5O2S/c1-6-21(7-2)9-8-18-15(23)16(24)19-14-12-10-25-11-13(12)20-22(14)17(3,4)5/h6-11H2,1-5H3,(H,18,23)(H,19,24)
InChIKeyREFWCRRIMPYFBA-UHFFFAOYSA-N
XLogP1.78
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-N-[2-(diethylamino)ethyl]oxamide?
The IUPAC name of N'-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-N-[2-(diethylamino)ethyl]oxamide (CID 7685489) is N'-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-N-[2-(diethylamino)ethyl]oxamide.
What is the SMILES notation for N'-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-N-[2-(diethylamino)ethyl]oxamide?
The canonical SMILES for N'-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-N-[2-(diethylamino)ethyl]oxamide is CCN(CC)CCNC(=O)C(=O)Nc1c2c(nn1C(C)(C)C)CSC2.
What is the InChIKey of N'-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-N-[2-(diethylamino)ethyl]oxamide?
The InChIKey is REFWCRRIMPYFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O2S/c1-6-21(7-2)9-8-18-15(23)16(24)19-14-12-10-25-11-13(12)20-22(14)17(3,4)5/h6-11H2,1-5H3,(H,18,23)(H,19,24).
What are the key properties of N'-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-N-[2-(diethylamino)ethyl]oxamide?
N'-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-N-[2-(diethylamino)ethyl]oxamide has a molecular weight of 367.52 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-N-[2-(diethylamino)ethyl]oxamide is sourced from PubChem (CID 7685489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).